Abstract
A simple quantitative structure-property relationship was used to calculate a set of properties of aliphatic alcohols including the boiling point; enthalpy of vaporization; heat capacity of liquids at constant pressure; entropy, enthalpy, and free energy of formation; free energy of transfer from the gas phase to water; distribution factor in the octanol-water system; dielectric constant; surface tension; viscosity; thermal conductivity; diamagnetic susceptibility; ionization potential; self-association index; distribution factor between the gas and hexadecane; distribution factor between water and dodecyl sulfate mixelles; solubility of HCl in alcohols; and solvatochromic parameter. The rate constants, activation entropies, and activation energies of the Menshutkin reaction in alcohols were also calculated. The calculated values are in good agreement with the experimental data. The suggested relationship well reproduces the proton affinites of a series of alcohols calculated by rigorous methods.
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